1-chloranyl-1-cyano-2-(trifluoromethyl)-1-triphenylphosphaniumyl-oct-3-yn-2-olate

Systemtic Name: 1-chloranyl-1-cyano-2-(trifluoromethyl)-1-triphenylphosphaniumyl-oct-3-yn-2-olate Openeye Name: 1-chloro-1-cyano-2-(trifluoromethyl)-1-triphenylphosphaniumyl-oct-3-yn-2-olate CAS Name: 1-chloro-1-cyano-2-(trifluoromethyl)-1-triphenylphosphiniumyl-3-octyn-2-olate IUPAC Name: 1-chloro-1-cyano-2-(trifluoromethyl)-1-triphenylphosphaniumyloct-3-yn-2-olate Traditional Name: 1-chloro-1-cyano-2-(trifluoromethyl)-1-triphenylphosphiniumyl-oct-3-yn-2-olate Formula: C28H24ClF3NOP MolecularWeight: 513.918231

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C(C#N)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCC#CC(C(C#N)([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl)(C(F)(F)F)[O-]

InChI

InChI=1S/C28H24ClF3NOP/c1-2-3-4-14-21-26(34,28(30,31)32)27(29,22-33)35(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h5-13,15-20H,2-4H2,1H3